1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone

C13H11ClN2O2 — CID 123451194

IUPAC1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(COc2ccnc(Cl)c2)nc1
InChIInChI=1S/C13H11ClN2O2/c1-9(17)10-2-3-11(16-7-10)8-18-12-4-5-15-13(14)6-12/h2-7H,8H2,1H3
InChIKeyQHGXPDSJMLCHBN-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.91
Rot. Bonds4

About 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone

1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone (PubChem CID 123451194) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone
PubChem CID123451194
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(COc2ccnc(Cl)c2)nc1
InChIInChI=1S/C13H11ClN2O2/c1-9(17)10-2-3-11(16-7-10)8-18-12-4-5-15-13(14)6-12/h2-7H,8H2,1H3
InChIKeyQHGXPDSJMLCHBN-UHFFFAOYSA-N
XLogP2.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
CID 144505227
6-[[4-(2-oxopropyl)phenoxy]methyl]pyridine-3-carboxylic acid
CID 115493828
6-[(1-methylpyrazol-4-yl)oxymethyl]pyridine-3-carboxylic acid
CID 116792096
2-chloro-4-[[6-[(2-chloro-4-pyridinyl)oxymethyl]-2-pyridinyl]oxy]pyridine
CID 18974756
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
6-[(3-chloro-4-cyanophenoxy)methyl]pyridine-3-carbohydrazide
CID 102724820
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
1-[4-[(5-chloro-3-pyridinyl)methoxy]phenyl]ethanone
CID 59626117
1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
CID 175531201
1-[5-[(2-chloro-4-pyridinyl)oxy]-2-fluorophenyl]ethanone
CID 171635683
6-[(3-fluorophenoxy)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 58533730
2-[(2-chloro-4-pyridinyl)oxy]ethanamine
CID 84654514

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone (CID 123451194) is 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone is CC(=O)c1ccc(COc2ccnc(Cl)c2)nc1.
What is the InChIKey of 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone?
The InChIKey is QHGXPDSJMLCHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9(17)10-2-3-11(16-7-10)8-18-12-4-5-15-13(14)6-12/h2-7H,8H2,1H3.
What are the key properties of 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone?
1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone has a molecular weight of 262.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chloro-4-pyridinyl)oxymethyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 123451194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).